3-sulfanyl-6-trimethoxysilylhexanoic acid

C9H20O5SSi — CID 142550334

IUPAC3-sulfanyl-6-trimethoxysilylhexanoic acid
SMILESCO[Si](CCCC(S)CC(=O)O)(OC)OC
InChIInChI=1S/C9H20O5SSi/c1-12-16(13-2,14-3)6-4-5-8(15)7-9(10)11/h8,15H,4-7H2,1-3H3,(H,10,11)
InChIKeyGNUVJHWVZQRQCK-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.42
Rot. Bonds9

About 3-sulfanyl-6-trimethoxysilylhexanoic acid

3-sulfanyl-6-trimethoxysilylhexanoic acid (PubChem CID 142550334) has the molecular formula C9H20O5SSi and a molecular weight of 268.41 g/mol. Its IUPAC name is 3-sulfanyl-6-trimethoxysilylhexanoic acid.

Molecular Properties

Compound Name3-sulfanyl-6-trimethoxysilylhexanoic acid
PubChem CID142550334
Molecular FormulaC9H20O5SSi
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name3-sulfanyl-6-trimethoxysilylhexanoic acid
SMILESCO[Si](CCCC(S)CC(=O)O)(OC)OC
InChIInChI=1S/C9H20O5SSi/c1-12-16(13-2,14-3)6-4-5-8(15)7-9(10)11/h8,15H,4-7H2,1-3H3,(H,10,11)
InChIKeyGNUVJHWVZQRQCK-UHFFFAOYSA-N
XLogP1.42
TPSA64.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319
3-sulfanylhenicosanoic acid
CID 57128835
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
2,2-dideuterio-4-trimethoxysilylbutanoic acid
CID 175956620
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
N-(5-trimethoxysilylpentan-2-yl)prop-2-enamide
CID 172553475
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
1-sulfanyl-3-trimethoxysilylpropan-1-ol
CID 139948392
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
6-trimethoxysilylhexan-3-one
CID 154355591
10-trimethoxysilyldecanethioic S-acid
CID 87672120
4-trimethoxysilylbutylcarbamic acid
CID 18755644

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-6-trimethoxysilylhexanoic acid?
The IUPAC name of 3-sulfanyl-6-trimethoxysilylhexanoic acid (CID 142550334) is 3-sulfanyl-6-trimethoxysilylhexanoic acid.
What is the SMILES notation for 3-sulfanyl-6-trimethoxysilylhexanoic acid?
The canonical SMILES for 3-sulfanyl-6-trimethoxysilylhexanoic acid is CO[Si](CCCC(S)CC(=O)O)(OC)OC.
What is the InChIKey of 3-sulfanyl-6-trimethoxysilylhexanoic acid?
The InChIKey is GNUVJHWVZQRQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5SSi/c1-12-16(13-2,14-3)6-4-5-8(15)7-9(10)11/h8,15H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 3-sulfanyl-6-trimethoxysilylhexanoic acid?
3-sulfanyl-6-trimethoxysilylhexanoic acid has a molecular weight of 268.41 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-6-trimethoxysilylhexanoic acid is sourced from PubChem (CID 142550334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).